1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride

C15H17ClFN3O2 — CID 119904187

IUPAC1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(Cc2ccn(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C15H16FN3O2.ClH/c16-12-1-3-14(4-2-12)19-8-6-13(17-19)10-18-7-5-11(9-18)15(20)21;/h1-4,6,8,11H,5,7,9-10H2,(H,20,21);1H
InChIKeyFJUIIAGOBMFOPX-UHFFFAOYSA-N
MW325.77 g/mol
LogP2.34
Rot. Bonds4

About 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride

1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 119904187) has the molecular formula C15H17ClFN3O2 and a molecular weight of 325.77 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID119904187
Molecular FormulaC15H17ClFN3O2
Molecular Weight325.77 g/mol
Exact Mass325.10
IUPAC Name1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(Cc2ccn(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C15H16FN3O2.ClH/c16-12-1-3-14(4-2-12)19-8-6-13(17-19)10-18-7-5-11(9-18)15(20)21;/h1-4,6,8,11H,5,7,9-10H2,(H,20,21);1H
InChIKeyFJUIIAGOBMFOPX-UHFFFAOYSA-N
XLogP2.34
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride (CID 119904187) is 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCN(Cc2ccn(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is FJUIIAGOBMFOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2.ClH/c16-12-1-3-14(4-2-12)19-8-6-13(17-19)10-18-7-5-11(9-18)15(20)21;/h1-4,6,8,11H,5,7,9-10H2,(H,20,21);1H.
What are the key properties of 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride?
1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 325.77 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 119904187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).